3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane

C9H10ClN3 — CID 131218863

IUPAC3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESClc1cnc(N2CC3CC3C2)cn1
InChIInChI=1S/C9H10ClN3/c10-8-2-12-9(3-11-8)13-4-6-1-7(6)5-13/h2-3,6-7H,1,4-5H2
InChIKeyCGGVAVVVEWFKLZ-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.59
Rot. Bonds1

About 3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane

3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 131218863) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID131218863
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESClc1cnc(N2CC3CC3C2)cn1
InChIInChI=1S/C9H10ClN3/c10-8-2-12-9(3-11-8)13-4-6-1-7(6)5-13/h2-3,6-7H,1,4-5H2
InChIKeyCGGVAVVVEWFKLZ-UHFFFAOYSA-N
XLogP1.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane (CID 131218863) is 3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane is Clc1cnc(N2CC3CC3C2)cn1.
What is the InChIKey of 3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is CGGVAVVVEWFKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c10-8-2-12-9(3-11-8)13-4-6-1-7(6)5-13/h2-3,6-7H,1,4-5H2.
What are the key properties of 3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane?
3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 195.65 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 131218863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).